Diffusion kinetics for divacancies in the bcc lattice |
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Authors: | I.V. Belova D.S. Gentle G.E. Murch |
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Affiliation: | 1. Laboratoire d'Etude des Textures et Application aux Matériaux , Université Paul Verlaine de Metz , Metz , France nmmorawi@cyf-kr.edu.pl |
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Abstract: | In this letter we employ high-precision Monte Carlo simulations to investigate tracer diffusion kinetics for diffusion via divacancies in the bcc lattice. We utilize the mechanisms originally identified by Mehrer in which the divacancy can move by nearest-neighbour jumps with stable first-nearest-neighbour, second-nearest-neighbour and fourth-nearest-neighbour configurations of the divacancy. The tracer correlation factor and the 'impurity-form' correlation factor were found to be some 4-6% lower than those found by the matrix method. The tracer diffusion data and isotope effect for sodium were revisited in terms of monovacancy and divacancy contributions. The main change is a revision upwards from 0.55 to 0.61 of the j K kinetic factor for divacancies. |
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Keywords: | piezoelectrics composite materials cellular structures |
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